SCHEMBL4338413

SCHEMBL4338413

O=C(c1cccc2c1OCCNC2)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 19/20 0.49
SSTR1 P30872 4/20 0.47
SSTR2 P30874 4/20 0.47
SSTR3 P32745 4/20 0.47
SSTR5 P35346 4/20 0.47
POLB P06746 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL3276496 0.99 SSTR4 (0.48) SSTR4SSTR1SSTR2SSTR3SSTR5
Bromide SCHEMBL3275381 0.90 SSTR4 (0.47) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL23734949 0.82 PARP1 (0.62) POLB
Hydrochloric Acid SCHEMBL3276373 0.79 SSTR4 (0.54) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL3282996 0.73 ADRB1 (0.50) SSTR4
SCHEMBL8257527 0.73 HPGD (0.52) POLB
SCHEMBL25405889 0.73 POLB (0.49) POLB
Hydrochloric Acid SCHEMBL3276614 0.72 ADRB1 (0.49) SSTR4
SCHEMBL11799044 0.72 POLB (0.61) POLB
Hydrochloric Acid SCHEMBL3281370 0.71 ADRB1 (0.48) SSTR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed